ethyl alpha-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate (CAS 85391-87-3) — formula C15H23NO2, molecular weight 249.35; category organic chemicals.
| CAS Number | 85391-87-3 |
|---|---|
| Molecular Formula | C15H23NO2 |
| Molecular Weight | 249.35 |
| LogP | 3.9 |
| Category | Organic Chemicals |
ethyl alpha-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate is a carbon-based organic compound with CAS registry number 85391-87-3 and molecular formula C15H23NO2 (molecular weight 249.35), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85391-87-3
Its molecular formula C15H23NO2 comprises 15 C, 23 H, 1 N, 2 O atoms.
Also known as: ethyl alpha-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate · α-氰基-6,6-二甲基双环[3.1.1]庚烷-2-丙酸乙酯
Category: organic chemicals
The CAS registry number of ethyl alpha-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate is 85391-87-3.
Molecular formula C15H23NO2, molecular weight 249.35.
It is also registered under: ethyl alpha-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate, α-氰基-6,6-二甲基双环[3.1.1]庚烷-2-丙酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl alpha-cyano-6,6-dimethylbicyclo[3.1.1]heptane-2-propionate (CAS 85391-87-3), compiled from public chemistry databases.
| CAS 号 | 85391-87-3 |
|---|---|
| PubChem CID | 44147217 |
| 分子式 | C15H23NO2 |
| IUPAC 名称 | ethyl 2-cyano-3-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)propanoate |
| UNII（FDA） | NS00063657 |
| Molecular Weight | 249.35 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 249.172878976 |
| Monoisotopic Mass | 249.172878976 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 18 |
EINECS 286-843-7; 85391-87-3; Ethyl alpha-cyano-6,6-dimethylbicyclo(3.1.1)heptane-2-propionate; DTXSID101005874; NS00063657; Ethyl 2-cyano-3-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)propanoate
α-氰基-6,6-二甲基双环[3.1.1]庚烷-2-丙酸乙酯 · CAS 85391-87-3 · C15H23NO2. UNII NS00063657.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.